{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.931726 1.779285 1.793394 ] [ 2.022352 0.7174538 3.630998 ] [ 4.124201 0.9725878 2.711634 ] [ 3.467636 2.844975 3.645464 ] [ 5.471294 3.704408 2.165903 ] [ 3.262896 3.451778 1.529715 ] [ 3.831227 5.45457 3.339943 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.931726e-10 1.779285e-10 1.793394e-10 ] [ 2.022352e-10 7.174538e-11 3.630998e-10 ] [ 4.124201e-10 9.725878e-11 2.711634e-10 ] [ 3.467636e-10 2.844975e-10 3.645464e-10 ] [ 5.471294000000001e-10 3.704408e-10 2.165903e-10 ] [ 3.262896e-10 3.451778e-10 1.529715e-10 ] [ 3.831227000000001e-10 5.454570000000001e-10 3.339943e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.157024 -0.7242436 -1.8617805 ] [ -0.2700516 -1.0446238 2.3826245 ] [ 0.8632103 -1.3093494 -1.3299015 ] [ -0.12238 1.5980589 2.6312713 ] [ -0.8096108 0.1841185 0.6650369 ] [ 1.1138275 2.5237119 -1.9254972 ] [ 0.3820286 -1.2276725 -0.5617535 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.853756802504499e-09 -1.160366163684027e-09 -2.982901190161335e-09 ] [ -4.326703599296333e-10 -1.673671829891255e-09 3.817385270045289e-09 ] [ 1.383015361493754e-09 -2.097808997138508e-09 -2.130737091266851e-09 ] [ -1.96074374853504e-10 2.560372608241365e-09 4.215761359842023e-09 ] [ -1.297139495707184e-09 2.949903561567647e-10 1.065506573149308e-09 ] [ 1.784548380104112e-09 4.043432203814748e-09 -3.084986597255861e-09 ] [ 6.120772913969549e-10 -1.966948177499088e-09 -9.000283243525728e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -6.498593085572459 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.041189390979673e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.8702082 2.2506576 1.6310099 ] [ 2.1990804 1.7453838 3.8422074 ] [ 4.0574488 1.4528637 2.3111386 ] [ 4.2490786 2.5642374 4.4585176 ] [ 5.1871209 3.5757046 2.6282518 ] [ 3.7168941 3.3819185 0.8807633 ] [ 2.8315011 3.9542921 3.0651624 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.8702082e-10 2.2506576e-10 1.6310099e-10 ] [ 2.1990804e-10 1.7453838e-10 3.8422074e-10 ] [ 4.057448800000001e-10 1.4528637e-10 2.3111386e-10 ] [ 4.2490786e-10 2.5642374e-10 4.458517600000001e-10 ] [ 5.187120900000001e-10 3.5757046e-10 2.6282518e-10 ] [ 3.7168941e-10 3.3819185e-10 8.807633000000001e-11 ] [ 2.8315011e-10 3.9542921e-10 3.0651624e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.48e-05 7.23e-05 1.32e-05 ] [ 4.77e-05 -8.1e-05 -3.1e-05 ] [ -8e-07 -1.83e-05 2.35e-05 ] [ -1.14e-05 3.41e-05 -3.69e-05 ] [ -2.16e-05 -2.49e-05 4.36e-05 ] [ -4.8e-05 -4.9e-05 1.62e-05 ] [ 9.2e-06 6.69e-05 -2.86e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.973398019584e-14 1.1583736968384e-13 2.114873139456e-14 ] [ 7.642382481215999e-14 -1.297763062848e-13 -4.96674752448e-14 ] [ -1.28174129664e-15 -2.931983216064e-14 3.76511505888e-14 ] [ -1.826481347712e-14 5.463422276928e-14 -5.912031730752001e-14 ] [ -3.460701500928e-14 -3.989419785791999e-14 6.985490066688e-14 ] [ -7.69044777984e-14 -7.85066544192e-14 2.595526125696e-14 ] [ 1.474002491136e-14 1.0718561593152e-13 -4.582225135488e-14 ] ] } "relaxed-potential-energy" { "source-value" -9.821491085572458 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.573576339869981e-18 } }